BDBM21921 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2,3-dihydroxypropyl)amino]quinoline-3-carbonitrile::Cyanoquinoline, 34

SMILES: OCC(O)CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

InChI Key: InChIKey=GBWAKUBDAHZEBU-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21921   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21921 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2,3...) Show SMILES OCC(O)CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C19H15BrClFN4O2/c20-15-4-12(24-8-13(28)9-27)3-14-18(10(6-23)7-25-19(14)15)26-11-1-2-17(22)16(21)5-11/h1-5,7,13,24,27-28H,8-9H2,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
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